Kuemmel, S. and Brack, Matthias (2001) Quantum fluid dynamics from density-functional theory. PHYSICAL REVIEW A, 64 (2): 022506. ISSN 2469-9926, 2469-9934
Full text not available from this repository. (Request a copy)Abstract
A partial-differential eigenvalue equation for the density displacement fields associated with electronic excitations is derived in the framework of density-functional theory. Our quantum fluid-dynamical approach is based on a variational principle and the Kohn-Sham ground-state energy functional, using only the occupied Kohn-Sham orbitals. It allows for an intuitive interpretation of electronic excitations in terms of intrinsic local currents that obey a continuity equation. We demonstrate the capabilities of this nonempirical approach by calculating the photoabsorption spectra of small sodium clusters. The quantitative agreement between theoretical and experimental spectra shows that even for the smallest clusters, the resonances observed experimentally at low temperatures can be interpreted in terms of density vibrations.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | GENERALIZED GRADIENT APPROXIMATION; SMALL METAL-CLUSTERS; OPTICAL-RESPONSE; GIANT-RESONANCES; SODIUM CLUSTERS; TEMPERATURE-DEPENDENCE; SUM-RULES; SPECTRA; TIME; PHOTOABSORPTION; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Matthias Brack |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 14 Dec 2021 13:28 |
| Last Modified: | 14 Dec 2021 13:28 |
| URI: | https://pred.uni-regensburg.de/id/eprint/41240 |
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